#!/bin/sh

if [ "${AMBERHOME}_" == "_" ] ; then
   echo 'You need to specify $AMBERHOME'
   exit 1
fi

${AMBERHOME}/bin/simplepbsa -p ../pbsa_delphi/1az6.top \
    -c ../pbsa_delphi/1az6.crd --fillratio=2 --smoothopt=2 --nfocus=1 \
    --istrng=150 --dbfopt=1 --cutnb=8 --maxitn=10000 --dprob=1.5 \
    --inp=0 > output.pbsa_delphi
../dacdif output.pbsa_delphi.save output.pbsa_delphi
